4J-948
TL;DR: 4J-948 (CAS 318247-40-4) is a chemical compound with molecular formula C22H14ClF3N4O4S and molecular weight 522.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[3-(benzenesulfonylmethyl)-4-nitrophenyl]pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
Also Known As: 4J-948, 3-Chloro-2-(3-(4-nitro-3-((phenylsulfonyl)methyl)phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine, 2-(3-{3-[(benzenesulfonyl)methyl]-4-nitrophenyl}-1H-pyrazol-1-yl)-3-chloro-5-(trifluoromethyl)pyridine, 2-[3-[3-(benzenesulfonylmethyl)-4-nitrophenyl]pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine, 3-CHLORO-2-(3-(4-NITRO-3-[(PHENYLSULFONYL)METHYL]PHENYL)-1H-PYRAZOL-1-YL)-5-(TRIFLUOROMETHYL)PYRIDINE
| Molecular Formula | C22H14ClF3N4O4S |
|---|---|
| Molecular Weight | 522.04 g/mol |
| LogP | 5.4886 |
| Topological Polar Surface Area | 107.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.03766 |
| Heavy Atoms | 35 |
| Complexity | 1523.4504 |
Chemical Identifiers
| CAS Number | 318247-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C3=NN(C=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
4J-948 (CAS 318247-40-4), with molecular formula C22H14ClF3N4O4S and molecular weight 522.04 g/mol. IUPAC: 2-[3-[3-(benzenesulfonylmethyl)-4-nitrophenyl]pyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 4J-948
Property Insights of 4J-948
The XLogP value of 5.4886 indicates that 4J-948 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-948. Following Lipinski's Rule of Five, 4J-948 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4J-948?
The CAS number of 4J-948 is 318247-40-4.
What is the molecular formula of 4J-948?
The molecular formula of 4J-948 is C22H14ClF3N4O4S.
What is the molecular weight of 4J-948?
The molecular weight of 4J-948 is 522.04 g/mol.
Where can I buy 4J-948?
You can request a quote for 4J-948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-948?
Yes, KEHONG BIO provides custom synthesis services for 4J-948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.